-
Name
1,3-Dioxolane-4-methanol, 2-hexyl-
- EINECS
- CAS No. 1708-35-6
- Density 0.975g/cm3
- Solubility
- Melting Point
- Formula C10H20 O3
- Boiling Point 271.9°C at 760 mmHg
- Molecular Weight 188.267
- Flash Point 132.4°C
- Transport Information
- Appearance
- Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Glycerylheptanaldehyde 1,3-cyclic acetal; Heptanal 1,2-glyceryl acetal; Heptanal,cyclic (hydroxymethyl)ethylene acetal
- PSA
- LogP
Heptanal, 1,2-glyceryl acetal Chemical Properties
Product Name: Heptanal, 1,2-glyceryl acetal (CAS NO.1708-35-6)
Molecular Formula: C10H20O3
Molecular Weight: 188.26g/mol
Mol File: 1708-35-6.mol
EINECS: 216-960-0
Boiling point: 271.9 °C at 760 mmHg
Flash Point: 132.4 °C
Density: 0.975 g/cm3
Surface Tension: 36.3 dyne/cm
Enthalpy of Vaporization: 59.24 kJ/mol
Vapour Pressure: 0.000813 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Heptanal, 1,2-glyceryl acetal (CAS NO.1708-35-6):
IUPAC Name: (2-hexyl-1,3-dioxolan-4-yl)methanol
Canonical SMILES: CCCCCCC1OCC(O1)CO
InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3
InChIKey: TYRXGKKCQUIWGI-UHFFFAOYSA-N
Heptanal, 1,2-glyceryl acetal Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 439mg/kg (439mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 85, Pg. 474, 1951. |
Heptanal, 1,2-glyceryl acetal Consensus Reports
Reported in EPA TSCA Inventory.
Heptanal, 1,2-glyceryl acetal Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.
Heptanal, 1,2-glyceryl acetal Specification
Heptanal, 1,2-glyceryl acetal , its CAS NO. is 1708-35-6, the synonyms are 4-19-00-00680 (Beilstein Handbook Reference) ; BRN 0108185 ; EINECS 216-960-0 ; FEMA No. 2542 ; Heptanal glyceryl acetal (1,2 acetal) ; Heptanal, cyclic (hydroxymethyl)ethylene acetal ; 1,3-Dioxolane-4-methanol, 2-hexyl- ; 2-Hexyl-1,3-dioxolane-4-methanol .
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